ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane

C140H163N7O2S2 — CID 160754925

IUPACethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccoc2)cc1.c1ccc(-c2ccsc2)cc1
InChIInChI=1S/7C11H9N.2C10H8O.2C10H8S.C3H8.10C2H6/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-9(5-3-1)10-6-7-11-8-10;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-9(5-3-1)10-6-7-11-8-10;1-3-2;10*1-2/h7*1-9H;4*1-8H;3H2,1-2H3;10*1-2H3
InChIKeyRXHNMNRLGAHYIA-UHFFFAOYSA-N
MW2040.02 g/mol
LogP43.64
Rot. Bonds11

About ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane

ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane (PubChem CID 160754925) has the molecular formula C140H163N7O2S2 and a molecular weight of 2040.02 g/mol. Its IUPAC name is ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane.

Molecular Properties

Compound Nameethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
PubChem CID160754925
Molecular FormulaC140H163N7O2S2
Molecular Weight2040.02 g/mol
Exact Mass2038.23
IUPAC Nameethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccoc2)cc1.c1ccc(-c2ccsc2)cc1
InChIInChI=1S/7C11H9N.2C10H8O.2C10H8S.C3H8.10C2H6/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-9(5-3-1)10-6-7-11-8-10;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-9(5-3-1)10-6-7-11-8-10;1-3-2;10*1-2/h7*1-9H;4*1-8H;3H2,1-2H3;10*1-2H3
InChIKeyRXHNMNRLGAHYIA-UHFFFAOYSA-N
XLogP43.64
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002040.02
LogP ≤ 543.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
3,3-difluoro-1-methylpiperidine;3,4-dimethylfuran;tris(1,2-dimethylpiperidine);bis(2,3-dimethylpyridine);3,4-dimethylpyridine;3,4-dimethyl-2H-pyrrole;1,2-dimethylpyrrolidine;2,3-dimethylthiophene;3,4-dimethylthiophene;1-methylazepane;bis(1-methylpiperidine);1-methylpyrrolidine;1,2,3-trimethylbenzene;2,3,4-trimethylpyridine;3,4,5-trimethyl-2H-pyrrole;1,2,5-trimethylpyrrolidine;1,2-xylene
CID 161662824
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(3-methoxyphenyl)ethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[2-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 173262702
Dioxidanium;bis(3,5-bis(5-pyridin-4-ylthiophen-2-yl)pyridine);bis(4-(4-carboxyphenoxy)benzoate);nickel(2+)
CID 168338367
4-(Furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-3-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 157947510
4-(Furan-2-yl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine;4-thiophen-2-yl-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridin-3-amine
CID 159418970
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
2-[7-(9H-fluoren-9-yl)-2-(furan-2-yl)-8-methyl-3-thiophen-2-ylnaphthalen-1-yl]pyridine
CID 53850286

Frequently Asked Questions

What is the IUPAC name of ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane?
The IUPAC name of ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane (CID 160754925) is ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane.
What is the SMILES notation for ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane?
The canonical SMILES for ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-c2ccco2)cc1.c1ccc(-c2cccs2)cc1.c1ccc(-c2ccncc2)cc1.c1ccc(-c2ccoc2)cc1.c1ccc(-c2ccsc2)cc1.
What is the InChIKey of ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane?
The InChIKey is RXHNMNRLGAHYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/7C11H9N.2C10H8O.2C10H8S.C3H8.10C2H6/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-2-4-10(5-3-1)11-6-8-12-9-7-11;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-9(5-3-1)10-6-7-11-8-10;1-2-5-9(6-3-1)10-7-4-8-11-10;1-2-4-9(5-3-1)10-6-7-11-8-10;1-3-2;10*1-2/h7*1-9H;4*1-8H;3H2,1-2H3;10*1-2H3.
What are the key properties of ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane?
ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane has a molecular weight of 2040.02 g/mol, XLogP of 43.64, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-phenylfuran;3-phenylfuran;tetrakis(2-phenylpyridine);bis(3-phenylpyridine);4-phenylpyridine;2-phenylthiophene;3-phenylthiophene;propane is sourced from PubChem (CID 160754925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).